#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi n SER 5 N 0.00 1.80 -4.79 2.61 2.88 -1.26 -5.10 113.62 109.76 2xdi n SER 5 Ca 0.00 -3.05 -0.31 0.00 -1.33 0.00 0.00 58.87 54.18 2xdi n SER 5 Cb 0.00 -0.64 0.08 0.00 -0.75 0.00 0.00 64.21 62.89 2xdi n SER 5 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2xdi s PRO 6 N -1.89 2.47 -0.67 -1.46 0.04 -1.26 -4.95 135.00 127.28 2xdi s PRO 6 Ca 0.38 1.02 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 2xdi s PRO 6 Cb 0.18 -1.93 0.34 0.00 0.04 0.00 0.00 34.50 33.13 2xdi s PRO 6 CO -0.07 -1.45 2.13 0.98 0.04 0.00 0.00 177.00 178.62 2xdi n TYR 7 N -3.37 2.75 -0.19 0.56 4.19 -1.26 -4.98 117.16 114.86 2xdi n TYR 7 Ca 0.08 -2.52 0.00 0.00 3.31 0.00 0.00 57.90 58.78 2xdi n TYR 7 Cb 0.54 -1.29 0.00 0.00 0.49 0.00 0.00 39.34 39.07 2xdi n TYR 7 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 2xdi n SER 8 N -0.41 -0.62 -4.31 2.98 7.64 -1.26 -4.89 113.62 112.74 2xdi n SER 8 Ca 0.54 -0.19 -0.38 0.00 1.01 0.00 0.00 58.87 59.85 2xdi n SER 8 Cb 0.48 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.71 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xdi n ALA 9 N -3.00 -2.60 -2.48 -0.43 0.00 -1.26 -4.92 120.51 105.82 2xdi n ALA 9 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.30 2xdi n ALA 9 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 19.45 17.90 2xdi n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n ALA 10 N -1.85 2.60 -1.41 0.00 0.00 -1.26 -4.95 120.51 113.63 2xdi n ALA 10 Ca 0.08 -2.14 -0.14 0.00 0.00 0.00 0.00 53.44 51.24 2xdi n ALA 10 Cb 0.49 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 2xdi n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n MET 11 N 0.23 -1.56 -0.05 0.00 0.00 -1.26 -4.85 117.12 109.63 2xdi n MET 11 Ca 0.01 0.99 -0.02 0.00 0.00 0.00 0.00 57.70 58.68 2xdi n MET 11 Cb 1.03 -5.37 -0.01 0.00 0.00 0.00 0.00 33.22 28.88 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2xdi h ALA 12 N 0.00 0.00 -1.34 3.17 0.00 -1.98 -3.24 119.26 115.88 2xdi h ALA 12 Ca -0.29 -0.20 0.42 0.00 0.00 0.00 0.00 54.91 54.84 2xdi h ALA 12 Cb 1.21 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 2xdi h ALA 12 CO 0.42 0.19 0.89 0.93 0.00 0.00 0.00 179.25 181.68 2xdi h GLU 13 N -0.94 0.11 -0.44 0.00 5.08 -1.98 0.94 114.58 117.35 2xdi h GLU 13 Ca 0.00 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2xdi h GLU 13 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2xdi h GLU 13 CO 0.00 0.07 -0.16 1.96 -1.00 0.00 0.00 179.01 179.88 2xdi h GLN 14 N 0.11 0.88 0.10 2.33 4.20 -1.96 -3.13 115.11 117.64 2xdi h GLN 14 Ca 0.78 -0.36 -0.26 0.00 0.06 0.00 0.00 58.65 58.86 2xdi h GLN 14 Cb 2.52 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 30.27 2xdi h GLN 14 CO -0.32 1.01 -1.22 -0.09 -0.67 0.00 0.00 178.83 177.54 2xdi h ARG 15 N 0.71 0.22 0.00 1.46 2.43 0.60 -3.16 114.38 116.63 2xdi h ARG 15 Ca 0.10 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2xdi h ARG 15 Cb 0.72 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2xdi h ARG 15 CO 0.05 1.16 0.12 1.25 -1.51 0.00 0.00 179.97 181.05 2xdi h HIS 16 N 0.06 0.00 0.00 2.20 2.76 -0.06 0.49 115.15 120.60 2xdi h HIS 16 Ca -0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2xdi h HIS 16 Cb 1.94 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.90 2xdi h HIS 16 CO 0.05 0.00 0.00 0.37 -1.30 0.00 0.00 177.93 177.05 2xdi h GLN 17 N 0.00 0.00 0.00 5.26 5.75 -1.51 -2.88 115.11 121.73 2xdi h GLN 17 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2xdi h GLN 17 Cb 0.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2xdi h GLN 17 CO 0.00 0.00 -0.11 0.39 -2.65 0.00 0.00 178.83 176.46 2xdi n GLU 18 N -2.44 0.11 0.07 1.69 1.02 0.17 -2.69 120.64 118.58 2xdi n GLU 18 Ca 0.05 0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 57.08 2xdi n GLU 18 Cb 0.45 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2xdi h TRP 19 N 0.00 0.87 -0.14 -0.32 2.91 -1.57 -2.59 115.95 115.11 2xdi h TRP 19 Ca 0.00 -0.51 -0.19 0.00 1.13 0.00 0.00 58.89 59.32 2xdi h TRP 19 Cb 0.60 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.16 2xdi h TRP 19 CO 0.00 1.35 -0.69 -0.07 -1.03 0.00 0.00 178.44 178.00 2xdi h LEU 20 N 0.28 0.69 -1.49 0.65 3.38 -1.67 -0.87 115.31 116.29 2xdi h LEU 20 Ca -0.14 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.42 2xdi h LEU 20 Cb 1.76 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 2xdi h LEU 20 CO 0.20 1.18 0.36 -0.09 0.09 0.00 0.00 178.44 180.19 2xdi h ARG 21 N 0.42 0.66 0.07 1.13 2.43 -1.51 1.65 114.38 119.24 2xdi h ARG 21 Ca -0.03 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.86 2xdi h ARG 21 Cb 1.28 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2xdi h ARG 21 CO 0.13 0.44 -1.10 0.35 -1.51 0.00 0.00 179.97 178.28 2xdi h PHE 22 N 0.68 0.43 -0.23 2.20 3.57 -1.22 0.15 116.94 122.53 2xdi h PHE 22 Ca 0.21 -0.29 -0.20 0.00 3.53 0.00 0.00 57.97 61.22 2xdi h PHE 22 Cb 0.01 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2xdi h PHE 22 CO -0.00 1.18 -0.64 0.28 -2.23 0.00 0.00 178.31 176.90 2xdi h VAL 23 N 0.10 1.28 -0.10 1.41 2.07 0.33 0.15 116.25 121.49 2xdi h VAL 23 Ca -0.10 -1.82 -0.13 0.00 0.82 0.00 0.00 66.70 65.47 2xdi h VAL 23 Cb 1.80 1.79 0.01 0.00 -1.52 0.00 0.00 31.29 33.36 2xdi h VAL 23 CO 0.18 0.59 -0.44 -0.78 0.02 0.00 0.00 177.57 177.14 2xdi h ASP 24 N 0.60 0.56 -0.66 0.57 3.58 0.23 1.56 116.42 122.86 2xdi h ASP 24 Ca -0.01 -0.63 -0.08 0.00 0.42 0.00 0.00 57.03 56.72 2xdi h ASP 24 Cb 1.26 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 2xdi h ASP 24 CO 0.14 1.10 0.11 0.25 -2.88 0.00 0.00 179.24 177.96 2xdi h LEU 25 N 0.05 1.03 -0.04 2.28 6.46 -0.71 0.50 115.31 124.89 2xdi h LEU 25 Ca -0.03 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.44 2xdi h LEU 25 Cb 1.08 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2xdi h LEU 25 CO 0.09 1.03 -0.10 0.25 -0.62 0.00 0.00 178.44 179.09 2xdi h LEU 26 N 1.00 0.16 -1.19 2.25 5.85 -0.64 -1.63 115.31 121.11 2xdi h LEU 26 Ca 0.20 -0.60 0.13 0.00 0.84 0.00 0.00 57.88 58.45 2xdi h LEU 26 Cb 0.43 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2xdi h LEU 26 CO 0.01 0.73 0.59 0.50 -0.34 0.00 0.00 178.44 179.93 2xdi h LYS 27 N -0.41 0.78 -0.32 1.25 3.64 0.24 1.22 116.57 122.97 2xdi h LYS 27 Ca -0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2xdi h LYS 27 Cb 0.71 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2xdi h LYS 27 CO 0.02 0.52 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.66 2xdi h ASN 28 N 0.80 0.52 1.82 4.20 -0.73 0.18 -1.05 115.58 121.32 2xdi h ASN 28 Ca 0.46 -0.12 -0.04 0.00 1.87 0.00 0.00 56.30 58.47 2xdi h ASN 28 Cb 0.63 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 2xdi h ASN 28 CO -0.23 0.65 -0.18 0.00 -0.37 0.00 0.00 177.43 177.30 2xdi h ALA 29 N 1.41 0.89 0.00 1.57 0.00 0.11 -3.07 119.26 120.16 2xdi h ALA 29 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2xdi h ALA 29 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2xdi h ALA 29 CO 0.02 0.21 -0.36 1.88 0.00 0.00 0.00 179.25 181.00 2xdi h TYR 30 N 0.00 0.00 0.03 0.00 0.05 0.24 -1.30 116.97 115.99 2xdi h TYR 30 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2xdi h TYR 30 Cb 1.13 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.87 2xdi h TYR 30 CO 0.00 0.36 -0.19 0.37 -1.05 0.00 0.00 178.16 177.65 2xdi h GLN 31 N 0.00 0.07 0.00 4.88 5.75 -1.16 -3.26 115.11 121.39 2xdi h GLN 31 Ca -0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2xdi h GLN 31 Cb 1.06 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.65 2xdi h GLN 31 CO 0.05 1.05 0.00 0.09 -2.65 0.00 0.00 178.83 177.37 2xdi n ASN 32 N -4.50 0.00 -1.34 -0.69 4.13 -1.17 -4.87 115.26 106.83 2xdi n ASN 32 Ca -0.11 0.47 -0.17 0.00 1.68 0.00 0.00 54.58 56.46 2xdi n ASN 32 Cb 0.56 -0.49 -0.07 0.00 -1.54 0.00 0.00 39.78 38.24 2xdi n ASN 32 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2xdi n ASP 33 N -1.49 -5.01 -1.53 6.41 2.03 -0.51 -4.84 116.55 111.62 2xdi n ASP 33 Ca 0.06 0.38 0.10 0.00 0.52 0.00 0.00 54.79 55.85 2xdi n ASP 33 Cb 0.27 -3.99 0.35 0.00 -0.72 0.00 0.00 41.12 37.03 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xdi n LEU 34 N -1.94 4.50 0.00 -2.67 -0.00 -1.05 -4.33 117.00 111.50 2xdi n LEU 34 Ca -0.17 -2.26 0.06 0.00 -0.00 0.00 0.00 56.01 53.64 2xdi n LEU 34 Cb 0.56 -0.55 0.34 0.00 -0.00 0.00 0.00 43.42 43.76 2xdi n LEU 34 CO 0.25 0.89 0.65 0.00 -0.00 0.00 0.00 177.39 179.18 2xdi n HIS 35 N 1.37 0.00 -0.33 1.47 1.44 -1.18 -4.23 115.22 113.76 2xdi n HIS 35 Ca 0.26 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.98 2xdi n HIS 35 Cb 0.79 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.98 2xdi n HIS 35 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2xdi n LEU 36 N -0.71 -0.46 0.26 2.39 7.94 -1.26 0.25 117.00 125.42 2xdi n LEU 36 Ca 0.09 1.51 0.14 0.00 -1.11 0.00 0.00 56.01 56.64 2xdi n LEU 36 Cb 0.04 -0.39 0.69 0.00 0.53 0.00 0.00 43.42 44.28 2xdi n LEU 36 CO 0.06 -1.40 0.95 1.55 -1.11 0.00 0.00 177.39 177.45 2xdi h PRO 37 N 0.00 0.00 0.00 1.96 0.13 -1.97 -2.04 132.00 130.08 2xdi h PRO 37 Ca 0.35 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.28 2xdi h PRO 37 Cb 0.57 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 2xdi h PRO 37 CO -0.88 0.10 -1.06 1.25 -0.23 0.00 0.00 178.00 177.19 2xdi h LEU 38 N 0.00 0.00 -0.04 1.56 6.46 0.31 -0.80 115.31 122.80 2xdi h LEU 38 Ca -0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.60 2xdi h LEU 38 Cb 0.48 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2xdi h LEU 38 CO 0.01 0.90 -0.60 -0.07 -0.62 0.00 0.00 178.44 178.06 2xdi h LEU 39 N 0.00 0.60 -0.22 2.25 3.38 -0.39 0.16 115.31 121.09 2xdi h LEU 39 Ca -0.06 -0.71 -0.21 0.00 0.09 0.00 0.00 57.88 56.98 2xdi h LEU 39 Cb 1.74 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.32 2xdi h LEU 39 CO 0.11 1.23 -0.76 0.78 0.09 0.00 0.00 178.44 179.88 2xdi h ASN 40 N 0.03 0.84 0.48 -0.43 4.21 -1.47 2.27 115.58 121.52 2xdi h ASN 40 Ca -0.06 -0.55 -0.11 0.00 1.21 0.00 0.00 56.30 56.79 2xdi h ASN 40 Cb 1.29 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.22 2xdi h ASN 40 CO 0.12 1.34 -0.51 0.25 -1.29 0.00 0.00 177.43 177.33 2xdi h LEU 41 N 0.49 0.04 0.00 1.61 5.85 -1.19 -3.19 115.31 118.92 2xdi h LEU 41 Ca -0.05 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2xdi h LEU 41 Cb 1.38 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 2xdi h LEU 41 CO 0.15 0.55 -1.85 0.80 -0.34 0.00 0.00 178.44 177.75 2xdi n MET 42 N -3.93 0.65 -3.38 1.25 1.56 0.54 -4.94 117.12 108.88 2xdi n MET 42 Ca -0.02 -0.08 -0.35 0.00 -0.27 0.00 0.00 57.70 56.98 2xdi n MET 42 Cb 0.53 -1.59 -0.06 0.00 2.15 0.00 0.00 33.22 34.25 2xdi n MET 42 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 2xdi s LEU 43 N -4.91 4.32 0.00 -0.89 0.05 0.76 -5.02 118.68 112.99 2xdi s LEU 43 Ca -0.07 1.04 0.00 0.00 0.05 0.00 0.00 54.13 55.16 2xdi s LEU 43 Cb 0.12 -3.31 0.00 0.00 -2.05 0.00 0.00 46.19 40.95 2xdi s LEU 43 CO 0.87 0.08 0.00 0.35 -0.55 0.00 0.00 176.35 177.10 2xdi n THR 44 N 0.68 0.00 -0.01 5.48 -2.24 -1.26 -4.78 114.28 112.15 2xdi n THR 44 Ca -0.05 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 2xdi n THR 44 Cb 0.52 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.61 2xdi n THR 44 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2xdi h PRO 45 N 0.00 0.18 0.00 -0.78 0.13 -2.00 -2.95 132.00 126.58 2xdi h PRO 45 Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2xdi h PRO 45 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 2xdi h PRO 45 CO 0.00 1.11 0.00 0.22 -0.23 0.00 0.00 178.00 179.10 2xdi h ASP 46 N -0.61 0.00 0.01 1.44 3.58 -1.98 -1.65 116.42 117.21 2xdi h ASP 46 Ca -0.07 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2xdi h ASP 46 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2xdi h ASP 46 CO 0.08 0.00 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.35 2xdi h GLU 47 N 0.00 -0.02 -0.63 0.28 4.81 -1.95 0.18 114.58 117.25 2xdi h GLU 47 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2xdi h GLU 47 Cb 0.40 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2xdi h GLU 47 CO 0.00 0.68 0.19 0.00 -0.73 0.00 0.00 179.01 179.15 2xdi h ARG 48 N -0.74 0.96 -0.11 1.92 3.08 -1.33 0.87 114.38 119.03 2xdi h ARG 48 Ca -0.00 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2xdi h ARG 48 Cb 0.70 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 2xdi h ARG 48 CO 0.00 0.83 -0.01 0.93 -1.07 0.00 0.00 179.97 180.65 2xdi h GLU 49 N 0.93 0.20 -0.38 0.04 4.39 -1.32 -1.77 114.58 116.66 2xdi h GLU 49 Ca 0.21 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 2xdi h GLU 49 Cb 0.27 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2xdi h GLU 49 CO -0.01 0.48 -0.02 0.00 -1.16 0.00 0.00 179.01 178.30 2xdi h ALA 50 N 0.71 0.52 -0.44 3.43 0.00 -0.30 0.11 119.26 123.29 2xdi h ALA 50 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2xdi h ALA 50 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2xdi h ALA 50 CO 0.01 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.85 2xdi n LEU 51 N -4.44 0.00 -0.31 0.00 7.99 0.30 0.56 117.00 121.09 2xdi n LEU 51 Ca -0.01 0.93 0.25 0.00 -0.01 0.00 0.00 56.01 57.17 2xdi n LEU 51 Cb 0.30 -0.43 0.57 0.00 -0.11 0.00 0.00 43.42 43.75 2xdi n LEU 51 CO 0.41 -0.43 1.24 1.23 -1.51 0.00 0.00 177.39 178.33 2xdi h GLY 52 N 0.00 0.89 0.94 -0.72 0.00 -1.39 0.22 103.07 103.01 2xdi h GLY 52 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2xdi h GLY 52 CO 0.00 -0.10 0.08 -0.84 0.00 0.00 0.00 176.54 175.68 2xdi h THR 53 N 0.29 1.09 -0.30 4.70 2.02 0.30 -1.89 112.91 119.12 2xdi h THR 53 Ca 0.57 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.52 2xdi h THR 53 Cb 1.65 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2xdi h THR 53 CO -0.22 0.08 0.20 -0.09 0.37 0.00 0.00 175.52 175.87 2xdi h ARG 54 N 0.13 0.35 -0.29 6.66 2.43 0.34 0.14 114.38 124.15 2xdi h ARG 54 Ca 0.05 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2xdi h ARG 54 Cb 0.06 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2xdi h ARG 54 CO -0.01 0.23 -0.11 0.28 -1.51 0.00 0.00 179.97 178.86 2xdi h VAL 55 N 0.36 1.22 0.09 0.20 2.07 -0.62 -1.82 116.25 117.75 2xdi h VAL 55 Ca 0.12 -0.96 -0.17 0.00 0.82 0.00 0.00 66.70 66.50 2xdi h VAL 55 Cb 0.03 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2xdi h VAL 55 CO -0.03 0.32 -0.83 -0.09 0.02 0.00 0.00 177.57 176.96 2xdi h ARG 56 N 0.44 0.18 0.12 1.57 2.43 -0.52 -2.06 114.38 116.54 2xdi h ARG 56 Ca 0.09 -0.31 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 2xdi h ARG 56 Cb 0.46 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 2xdi h ARG 56 CO 0.03 1.15 -0.32 0.82 -1.51 0.00 0.00 179.97 180.13 2xdi h ILE 57 N -0.57 0.31 -0.40 1.20 2.04 -0.75 0.11 117.51 119.45 2xdi h ILE 57 Ca -0.17 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 2xdi h ILE 57 Cb 1.49 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2xdi h ILE 57 CO 0.05 0.00 -0.18 0.58 0.00 0.00 0.00 178.15 178.60 2xdi h VAL 58 N -0.55 1.27 0.00 1.67 2.07 -1.49 -2.43 116.25 116.79 2xdi h VAL 58 Ca 0.03 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2xdi h VAL 58 Cb 0.58 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2xdi h VAL 58 CO -0.19 0.43 0.00 1.21 0.02 0.00 0.00 177.57 179.03 2xdi n GLU 59 N -4.13 0.00 -0.41 1.57 2.13 -0.77 -2.16 120.64 116.86 2xdi n GLU 59 Ca 0.01 0.50 0.35 0.00 0.66 0.00 0.00 57.16 58.68 2xdi n GLU 59 Cb 0.41 -1.47 0.67 0.00 0.27 0.00 0.00 31.44 31.32 2xdi n GLU 59 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2xdi h GLU 60 N 0.00 0.12 0.01 5.31 -0.00 -0.89 0.12 114.58 119.25 2xdi h GLU 60 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2xdi h GLU 60 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 28.72 2xdi h GLU 60 CO 0.00 0.08 -0.01 1.25 -0.00 0.00 0.00 179.01 180.33 2xdi h LEU 61 N 0.12 -0.02 -1.78 3.06 6.46 -0.91 0.80 115.31 123.03 2xdi h LEU 61 Ca 0.70 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.46 2xdi h LEU 61 Cb 2.38 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 42.32 2xdi h LEU 61 CO -0.19 -0.01 0.03 -0.07 -0.62 0.00 0.00 178.44 177.58 2xdi h LEU 62 N -0.01 0.00 0.07 2.25 3.38 -0.82 -0.92 115.31 119.26 2xdi h LEU 62 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2xdi h LEU 62 Cb 0.01 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.79 2xdi h LEU 62 CO -0.00 0.00 -1.18 -0.09 0.09 0.00 0.00 178.44 177.26 2xdi h ARG 63 N 0.00 0.65 0.00 1.13 2.43 0.10 -3.47 114.38 115.22 2xdi h ARG 63 Ca 0.00 -0.81 0.00 0.00 -0.81 0.00 0.00 59.98 58.36 2xdi h ARG 63 Cb 0.05 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2xdi h ARG 63 CO 0.00 1.36 0.00 0.41 -1.51 0.00 0.00 179.97 180.23 2xdi n GLY 64 N 1.28 0.38 1.66 2.80 0.00 0.23 -4.96 105.19 106.58 2xdi n GLY 64 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 2xdi n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xdi n GLU 65 N 0.00 -0.16 -0.53 1.61 1.02 0.15 -4.73 120.64 117.99 2xdi n GLU 65 Ca 0.00 0.44 0.40 0.00 -0.02 0.00 0.00 57.16 57.98 2xdi n GLU 65 Cb 0.00 -1.92 0.63 0.00 -0.02 0.00 0.00 31.44 30.13 2xdi n GLU 65 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2xdi n MET 66 N -1.26 -0.00 0.00 3.49 0.00 -1.26 -1.81 117.12 116.28 2xdi n MET 66 Ca -0.00 0.85 0.00 0.00 -0.00 0.00 0.00 57.70 58.55 2xdi n MET 66 Cb 0.50 -1.93 0.00 0.00 0.00 0.00 0.00 33.22 31.79 2xdi n MET 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2xdi n SER 67 N -3.56 0.00 -0.55 6.12 2.88 -1.26 -4.83 113.62 112.42 2xdi n SER 67 Ca 0.34 -1.00 0.10 0.00 -1.33 0.00 0.00 58.87 56.98 2xdi n SER 67 Cb 1.53 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 65.36 2xdi n SER 67 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2xdi n GLN 68 N 0.00 1.72 0.00 -1.46 7.27 -0.75 -3.45 117.38 120.71 2xdi n GLN 68 Ca 0.00 -1.09 0.00 0.00 0.07 0.00 0.00 57.00 55.98 2xdi n GLN 68 Cb 0.44 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.71 2xdi n GLN 68 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2xdi n ARG 69 N 0.31 0.97 -0.04 3.69 0.63 -1.24 -4.11 116.66 116.88 2xdi n ARG 69 Ca 0.16 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.21 2xdi n ARG 69 Cb 0.32 -0.94 0.17 0.00 0.45 0.00 0.00 32.46 32.46 2xdi n ARG 69 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2xdi n GLU 70 N -1.37 2.28 -0.33 -0.14 2.13 -1.25 -4.15 120.64 117.81 2xdi n GLU 70 Ca 0.00 -1.88 0.06 0.00 0.66 0.00 0.00 57.16 55.99 2xdi n GLU 70 Cb 0.04 -1.47 0.20 0.00 0.27 0.00 0.00 31.44 30.48 2xdi n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2xdi n LEU 71 N 1.24 2.81 0.09 4.31 7.94 -1.22 -4.20 117.00 127.97 2xdi n LEU 71 Ca 0.16 -1.41 0.08 0.00 -1.11 0.00 0.00 56.01 53.72 2xdi n LEU 71 Cb 0.57 -0.41 0.39 0.00 0.53 0.00 0.00 43.42 44.50 2xdi n LEU 71 CO 0.15 0.52 0.75 0.29 -1.11 0.00 0.00 177.39 177.99 2xdi n LYS 72 N 0.57 0.10 -0.25 1.96 5.02 -1.26 -2.44 118.16 121.86 2xdi n LYS 72 Ca 0.15 0.49 0.05 0.00 -2.02 0.00 0.00 58.31 56.97 2xdi n LYS 72 Cb 0.53 -1.77 0.18 0.00 -0.02 0.00 0.00 35.03 33.95 2xdi n LYS 72 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2xdi h ASN 73 N 0.00 0.24 -0.48 4.39 -0.73 -1.94 1.58 115.58 118.64 2xdi h ASN 73 Ca 0.00 0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.22 2xdi h ASN 73 Cb 0.14 0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.79 2xdi h ASN 73 CO 0.00 0.09 0.08 -0.62 -0.37 0.00 0.00 177.43 176.61 2xdi n GLU 74 N -5.02 3.55 -3.90 6.67 1.02 -1.02 -4.89 120.64 117.05 2xdi n GLU 74 Ca 0.14 -2.30 -0.27 0.00 -0.02 0.00 0.00 57.16 54.70 2xdi n GLU 74 Cb 0.40 -2.04 0.01 0.00 -0.02 0.00 0.00 31.44 29.80 2xdi n GLU 74 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2xdi n PHE 75 N 0.26 -1.95 0.00 -0.32 -0.00 0.54 -4.93 117.46 111.06 2xdi n PHE 75 Ca 0.24 0.83 0.00 0.00 -0.00 0.00 0.00 57.45 58.53 2xdi n PHE 75 Cb 1.02 -3.91 0.00 0.00 -0.00 0.00 0.00 39.48 36.59 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2xdi n GLY 76 N -1.69 -0.10 3.93 7.13 0.00 -1.13 -4.69 105.19 108.64 2xdi n GLY 76 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 2xdi n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xdi n ALA 77 N -3.00 -2.05 -1.95 4.61 0.00 -1.26 -0.47 120.51 116.39 2xdi n ALA 77 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 2xdi n ALA 77 Cb 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 2xdi n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xdi n GLY 78 N -1.96 0.25 0.29 0.00 0.00 -1.26 -4.89 105.19 97.62 2xdi n GLY 78 Ca -0.30 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.25 2xdi n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2xdi n ILE 79 N -3.74 0.00 0.00 -0.61 2.08 0.38 -3.28 119.36 114.18 2xdi n ILE 79 Ca -0.09 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.07 2xdi n ILE 79 Cb 0.50 0.55 0.00 0.00 -0.75 0.00 0.00 39.64 39.94 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2xdi n ALA 80 N -0.53 1.69 -0.02 -1.39 0.00 -1.26 -4.75 120.51 114.25 2xdi n ALA 80 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 2xdi n ALA 80 Cb 0.37 0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2xdi n ALA 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2xdi n THR 81 N -1.54 0.43 -0.24 0.00 -1.04 -1.26 -3.71 114.28 106.92 2xdi n THR 81 Ca 0.00 0.35 0.31 0.00 -2.04 0.00 0.00 64.05 62.67 2xdi n THR 81 Cb 0.34 -1.67 0.57 0.00 -1.82 0.00 0.00 70.33 67.75 2xdi n THR 81 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2xdi h ILE 82 N -0.25 0.09 -0.26 12.58 1.08 -1.92 1.54 117.51 130.37 2xdi h ILE 82 Ca 0.00 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.33 2xdi h ILE 82 Cb 0.25 0.14 -0.08 0.00 -3.07 0.00 0.00 36.82 34.06 2xdi h ILE 82 CO 0.00 0.00 -0.21 0.35 -0.69 0.00 0.00 178.15 177.60 2xdi n THR 83 N -3.48 2.47 -0.09 -0.27 -2.24 -1.20 -4.97 114.28 104.48 2xdi n THR 83 Ca 0.24 -2.93 0.00 0.00 -2.27 0.00 0.00 64.05 59.09 2xdi n THR 83 Cb 1.44 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2xdi n THR 83 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2xdi n ARG 84 N -1.12 -0.83 -0.80 -0.78 0.00 0.53 -4.64 116.66 109.03 2xdi n ARG 84 Ca 0.30 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.86 2xdi n ARG 84 Cb 0.94 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.36 2xdi n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2xdi n GLY 85 N 0.70 2.59 3.48 5.14 0.00 -1.26 -4.84 105.19 111.00 2xdi n GLY 85 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 2xdi n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xdi s SER 86 N 4.40 3.81 0.06 1.61 0.15 -1.26 -5.10 113.70 117.37 2xdi s SER 86 Ca 0.44 -0.59 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 2xdi s SER 86 Cb 0.11 -0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 63.87 2xdi s SER 86 CO 0.05 0.17 1.05 0.20 1.20 0.00 0.00 173.24 175.91 2xdi s ASN 87 N -2.17 7.30 0.00 5.45 -0.87 -1.26 -5.00 114.94 118.39 2xdi s ASN 87 Ca 0.18 1.83 0.00 0.00 -1.57 0.00 0.00 52.86 53.29 2xdi s ASN 87 Cb -0.10 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.55 2xdi s ASN 87 CO 0.10 -0.28 0.00 -1.20 -2.57 0.00 0.00 177.10 173.15 2xdi n SER 88 N 3.54 0.00 0.00 -1.22 7.64 -1.26 -4.41 113.62 117.91 2xdi n SER 88 Ca 0.06 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.05 2xdi n SER 88 Cb 0.49 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 64.25 2xdi n SER 88 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2xdi n LEU 89 N 0.00 0.00 -0.04 -3.43 4.32 -1.26 -2.17 117.00 114.43 2xdi n LEU 89 Ca 0.00 0.29 0.15 0.00 -0.02 0.00 0.00 56.01 56.43 2xdi n LEU 89 Cb 0.00 -0.29 0.75 0.00 -1.62 0.00 0.00 43.42 42.26 2xdi n LEU 89 CO 0.00 -0.08 1.00 0.29 -1.22 0.00 0.00 177.39 177.38 2xdi n LYS 90 N -1.29 0.61 0.00 3.23 4.76 -1.26 -3.66 118.16 120.55 2xdi n LYS 90 Ca 0.10 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2xdi n LYS 90 Cb 0.18 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2xdi n ALA 91 N -1.13 0.74 -2.66 7.82 0.00 -0.92 -5.06 120.51 119.30 2xdi n ALA 91 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2xdi n ALA 91 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2xdi n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n ALA 92 N -0.20 -3.32 0.03 0.00 0.00 -0.95 -4.83 120.51 111.24 2xdi n ALA 92 Ca 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 53.44 53.90 2xdi n ALA 92 Cb 0.07 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.68 2xdi n ALA 92 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2xdi h PRO 93 N 2.50 0.73 0.00 0.00 0.13 -1.91 -2.56 132.00 130.90 2xdi h PRO 93 Ca 0.00 -0.74 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2xdi h PRO 93 Cb 0.29 0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2xdi h PRO 93 CO 0.12 1.32 0.04 0.28 -0.23 0.00 0.00 178.00 179.52 2xdi h VAL 94 N 0.43 0.00 0.04 1.56 2.07 -1.92 0.31 116.25 118.74 2xdi h VAL 94 Ca -0.11 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.18 2xdi h VAL 94 Cb 1.63 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2xdi h VAL 94 CO 0.20 0.00 -1.02 -0.33 0.02 0.00 0.00 177.57 176.44 2xdi h GLU 95 N 0.00 0.26 0.19 1.57 5.08 -1.78 -1.78 114.58 118.12 2xdi h GLU 95 Ca 0.00 -0.33 -0.29 0.00 -1.00 0.00 0.00 59.36 57.73 2xdi h GLU 95 Cb 0.07 0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.45 2xdi h GLU 95 CO 0.00 1.08 -1.37 1.25 -1.00 0.00 0.00 179.01 178.97 2xdi h LEU 96 N 0.12 0.62 -0.73 1.33 7.12 -0.52 -2.60 115.31 120.65 2xdi h LEU 96 Ca -0.08 -0.92 -0.04 0.00 0.13 0.00 0.00 57.88 56.97 2xdi h LEU 96 Cb 1.69 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 41.59 2xdi h LEU 96 CO 0.16 1.64 0.30 -0.09 -0.13 0.00 0.00 178.44 180.32 2xdi h ARG 97 N -0.08 1.09 -0.47 1.25 2.43 -0.68 0.46 114.38 118.38 2xdi h ARG 97 Ca -0.26 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 2xdi h ARG 97 Cb 1.95 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.31 2xdi h ARG 97 CO 0.18 0.89 -0.18 -0.56 -1.51 0.00 0.00 179.97 178.79 2xdi h GLN 98 N 1.05 0.93 -0.15 0.20 3.07 -1.42 0.13 115.11 118.91 2xdi h GLN 98 Ca 0.24 -0.37 -0.05 0.00 0.09 0.00 0.00 58.65 58.56 2xdi h GLN 98 Cb 0.20 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.71 2xdi h GLN 98 CO -0.02 1.03 -0.11 2.35 0.09 0.00 0.00 178.83 182.17 2xdi h TRP 99 N 0.81 0.41 -0.90 0.06 -0.00 -1.03 -1.84 115.95 113.47 2xdi h TRP 99 Ca 0.11 -0.11 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 2xdi h TRP 99 Cb 0.74 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.76 2xdi h TRP 99 CO 0.05 0.71 0.59 1.25 -0.00 0.00 0.00 178.44 181.04 2xdi h LEU 100 N -0.00 1.03 -0.84 0.65 5.85 0.01 -1.41 115.31 120.61 2xdi h LEU 100 Ca 0.03 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2xdi h LEU 100 Cb 0.62 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2xdi h LEU 100 CO 0.03 0.75 0.54 -0.08 -0.34 0.00 0.00 178.44 179.34 2xdi h GLU 101 N 1.22 1.02 -0.20 1.25 4.81 -0.53 0.34 114.58 122.50 2xdi h GLU 101 Ca 0.33 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2xdi h GLU 101 Cb -0.14 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 28.97 2xdi h GLU 101 CO -0.07 0.67 -0.04 1.49 -0.73 0.00 0.00 179.01 180.33 2xdi h GLU 102 N 1.05 0.01 0.00 1.92 4.22 -0.40 2.30 114.58 123.68 2xdi h GLU 102 Ca 0.33 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.77 2xdi h GLU 102 Cb -0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2xdi h GLU 102 CO -0.11 0.01 0.00 0.28 -2.18 0.00 0.00 179.01 177.00 2xdi h VAL 103 N 0.01 0.00 0.13 0.32 2.07 -1.08 0.10 116.25 117.80 2xdi h VAL 103 Ca 0.09 -0.31 -0.33 0.00 0.82 0.00 0.00 66.70 66.98 2xdi h VAL 103 Cb 0.14 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2xdi h VAL 103 CO -0.20 0.00 -1.72 0.25 0.02 0.00 0.00 177.57 175.93 2xdi h LEU 104 N 0.00 0.42 -1.73 2.57 7.12 0.38 -3.30 115.31 120.77 2xdi h LEU 104 Ca 0.00 -0.89 0.00 0.00 0.13 0.00 0.00 57.88 57.12 2xdi h LEU 104 Cb 0.45 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2xdi h LEU 104 CO 0.00 1.75 0.00 0.00 -0.13 0.00 0.00 178.44 180.06 2xdi n LEU 105 N -3.71 2.54 -4.49 2.25 -0.00 0.74 -4.90 117.00 109.43 2xdi n LEU 105 Ca -0.28 -1.28 -0.44 0.00 -0.00 0.00 0.00 56.01 54.01 2xdi n LEU 105 Cb 0.98 -0.35 -0.08 0.00 -0.00 0.00 0.00 43.42 43.97 2xdi n LEU 105 CO 0.43 0.53 1.98 1.17 -0.00 0.00 0.00 177.39 181.49 2xdi n LYS 106 N 0.63 0.81 -0.62 1.47 4.81 0.34 -4.76 118.16 120.83 2xdi n LYS 106 Ca 0.14 0.13 -0.12 0.00 -0.87 0.00 0.00 58.31 57.59 2xdi n LYS 106 Cb 0.45 -2.53 0.07 0.00 0.02 0.00 0.00 35.03 33.04 2xdi n LYS 106 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2xdi n SER 107 N 11.88 3.96 0.00 3.14 7.64 -1.26 -5.07 113.62 133.92 2xdi n SER 107 Ca 0.46 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.55 2xdi n SER 107 Cb 0.28 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2xdi n SER 107 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36